N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide

C14H13FN2O2 — CID 107672026

IUPACN-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(N)c2)ccc1O
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2-5-13(8)18)14(19)17-10-3-4-11(15)12(16)7-10/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyAVOASWOIYYLIIZ-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.67
Rot. Bonds2

About N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide

N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide (PubChem CID 107672026) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
PubChem CID107672026
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(N)c2)ccc1O
InChIInChI=1S/C14H13FN2O2/c1-8-6-9(2-5-13(8)18)14(19)17-10-3-4-11(15)12(16)7-10/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyAVOASWOIYYLIIZ-UHFFFAOYSA-N
XLogP2.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
3-amino-4-bromo-N-(4-fluoro-3-methylphenyl)benzamide
CID 55118828
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577
3-amino-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 39395082

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide (CID 107672026) is N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(F)c(N)c2)ccc1O.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is AVOASWOIYYLIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-6-9(2-5-13(8)18)14(19)17-10-3-4-11(15)12(16)7-10/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide?
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 260.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107672026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).